methyl 4-[3-(ethoxycarbonyl)-2-methyl-5-oxo-4-1,4,6,7,8-pentahydroquinolyl]benzoate | 33323-09-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: methyl 4-[3-(ethoxycarbonyl)-2-methyl-5-oxo-4-1,4,6,7,8-pentahydroquinolyl]benzoate
• 英文别名: Ethyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate；ethyl 4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
• CAS: 33323-09-0
• 化学式: C₂₁H₂₃NO₅
• 分子量: 369.417
• InChiKey: LCXJQXMTVMBGOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 1,3-环己二酮 、 对甲酰基苯甲酸甲酯 在 Cu(OTf)2 、 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以92%的产率得到methyl 4-[3-(ethoxycarbonyl)-2-methyl-5-oxo-4-1,4,6,7,8-pentahydroquinolyl]benzoate
  参考文献：
  名称：

  Microwave-Assisted Copper(II)-Catalyzed One-Pot Four-Component Synthesis of Multifunctionalized Dihydropyridines

  摘要：

  A fast and highly efficient copper-catalyzed multicomponent synthesis of 1,4-dihydropyridines under microwave irradiation is described. The protocol utilizes mild reaction conditions with low catalytic loading, leading to high yields. This methodology provides us with biologically active 1,4-dihydropyridine library for medicinal chemistry applications.

  DOI：

  10.1021/cc100060s

文献信息

• POLYHYDROQUINOLINE COMPOUNDS AND DIHYDROPYRIDINE COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION
  申请人：Mullan Michael J.

  公开号：US20100119599A1

  公开（公告）日：2010-05-13

  Provided are methods of treating or reducing the risk of developing beta-amyloid production, beta-amyloid deposition, beta-amyloid neurotoxicity (including abnormal hyperphosphorylation of tau) and microgliosis associated with cerebral accumulation of Alzheimer's amyloid by administering therapeutically effective amounts of polyhydroquinoline and dihydropyridine compounds which decrease Abeta production in cells. Further provided are methods for diagnosing diseases associated with cerebral accumulation of Alzheimer's amyloid in animals or humans by administering diagnostically effective amounts of polyhydroquinoline and dihydropyridine compounds which decrease Abeta production in cells.